tert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate

C18H25N5O2 — CID 124942430

IUPACtert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Cc2cncc(-c3cn[nH]c3)n2)C1
InChIInChI=1S/C18H25N5O2/c1-18(2,3)25-17(24)23-6-4-5-13(12-23)7-15-10-19-11-16(22-15)14-8-20-21-9-14/h8-11,13H,4-7,12H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyAUXIDZXRGWOQDX-ZDUSSCGKSA-N
MW343.43 g/mol
LogP3.06
Rot. Bonds3

About tert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate

tert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate (PubChem CID 124942430) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate
PubChem CID124942430
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Nametert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Cc2cncc(-c3cn[nH]c3)n2)C1
InChIInChI=1S/C18H25N5O2/c1-18(2,3)25-17(24)23-6-4-5-13(12-23)7-15-10-19-11-16(22-15)14-8-20-21-9-14/h8-11,13H,4-7,12H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyAUXIDZXRGWOQDX-ZDUSSCGKSA-N
XLogP3.06
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 124945514
tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate
CID 159447658
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CID 175660541
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CID 129390877
tert-butyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidine-1-carboxylate
CID 12017167
2,2-dimethyl-1-[(3S)-3-[[6-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 125016939
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
tert-butyl (3S)-3-[[6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate (CID 124942430) is tert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](Cc2cncc(-c3cn[nH]c3)n2)C1.
What is the InChIKey of tert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate?
The InChIKey is AUXIDZXRGWOQDX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-18(2,3)25-17(24)23-6-4-5-13(12-23)7-15-10-19-11-16(22-15)14-8-20-21-9-14/h8-11,13H,4-7,12H2,1-3H3,(H,20,21)/t13-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate?
tert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 124942430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).